Geometry & MOs

Info

ID:	50544
PubChem CID:	12013091
Reduced:	FPO4C11H16 (1)
Stoich.:	ABC4D11E16 (1)
Weight, g/mol:	260.09776
ΔH_f, kcal/mol:	-236.37
Dipole, Da:	3.54
IP(EA), eV:	-10.36(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S,5E)-5-[diethoxyphosphoryl(fluoro)methylidene]bicyclo[2.2.1]hept-2-ene

Drug info:

PubChemData

Smile

CCOP(=O)(/C(=C/1\C[C@H]2C=C[C@@H]1O2)/F)OCC

DOS

IR

Vibrations